2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine

C25H25F3N6 — CID 118971648

About 2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine

2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine (PubChem CID 118971648) has the molecular formula C25H25F3N6 and a molecular weight of 466.51 g/mol. Its IUPAC name is 2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine.

Molecular Properties

• Compound Name: 2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
• PubChem CID: 118971648
• Molecular Formula: C25H25F3N6
• Molecular Weight: 466.51 g/mol
• Exact Mass: 466.21
• IUPAC Name: 2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
• SMILES: CC(C)c1ccc2c(c1)[C@@H](Cn1cnc(-c3cc(-c4n[nH]nc4C(F)(F)F)ccn3)c1)CCC2
• InChI: InChI=1S/C25H25F3N6/c1-15(2)17-7-6-16-4-3-5-19(20(16)10-17)12-34-13-22(30-14-34)21-11-18(8-9-29-21)23-24(25(26,27)28)32-33-31-23/h6-11,13-15,19H,3-5,12H2,1-2H3,(H,31,32,33)/t19-/m1/s1
• InChIKey: BKBBVZAFSVDMQY-LJQANCHMSA-N
• XLogP: 5.99
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.51
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine?

The IUPAC name of 2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine (CID 118971648) is 2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine.

What is the SMILES notation for 2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine?

The canonical SMILES for 2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine is CC(C)c1ccc2c(c1)[C@@H](Cn1cnc(-c3cc(-c4n[nH]nc4C(F)(F)F)ccn3)c1)CCC2.

What is the InChIKey of 2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine?

The InChIKey is BKBBVZAFSVDMQY-LJQANCHMSA-N. The full InChI is InChI=1S/C25H25F3N6/c1-15(2)17-7-6-16-4-3-5-19(20(16)10-17)12-34-13-22(30-14-34)21-11-18(8-9-29-21)23-24(25(26,27)28)32-33-31-23/h6-11,13-15,19H,3-5,12H2,1-2H3,(H,31,32,33)/t19-/m1/s1.

What are the key properties of 2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine?

2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine has a molecular weight of 466.51 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine is sourced from PubChem (CID 118971648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).